⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL4104342 | 1.00 | — | — | |
| SCHEMBL2548263 | 0.84 | — | — | |
| SCHEMBL1975244 | 0.84 | CA1 (0.32) | — | |
| SCHEMBL6299469 | 0.84 | CA1 (0.32) | — | |
| SCHEMBL1975243 | 0.84 | CA1 (0.32) | — | |
| SCHEMBL1975245 | 0.84 | CA1 (0.32) | — | |
| SCHEMBL15725208 | 0.73 | — | — | |
| SCHEMBL9247228 | 0.73 | — | — | |
| SCHEMBL2119557 | 0.73 | — | — | |
| SCHEMBL8728380 | 0.71 | TDP1 (0.41) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1506955-B1 | Bicyclic amino acids as pharmaceuticals agents | WARNER LAMBERT CO (US) | 2007-03-28 | — | — | EP | disclosed |
| US-7189747-B2 | Method of treating noninflammatory cartilage damage | WARNER-LAMBERT COMPANY (US) | 2007-03-13 | — | — | US | disclosed |
| US-7189747-B2 | Method of treating noninflammatory cartilage damage | WARNER-LAMBERT COMPANY (US) | 2007-03-13 | — | — | US | disclosed |
| WO-2003063845-A1 | ALPHA 2 DELTA LIGANDS TO TREAT TINNITUS | WARNER-LAMBERT COMPANY LLC (US) | 2003-08-07 | — | — | WO | disclosed |
| US-4149017-A | FERTILITY CONTROL, ANTIULCER AGENTS, BRONCHODILATOR, ANTICOAGULANT | MILES LABORATORIES, INC. (US) | 1979-04-10 | — | — | US | disclosed |
| US-4115438-A | SMOOTH MUSCLE ACTIVITY, ANTICLOTTING, ANTISECRETORY, BLOOD PRESSURE | MILES LABORATORIES, INC. (US) | 1978-09-19 | — | — | US | disclosed |
| US-4115453-A | SMOOTH MUSCLE ACTIVITY, ANTICOAGULANTS, ANTISECRETORY, HYPOTENSIVE | MILES LABORATORIES, INC. (US) | 1978-09-19 | — | — | US | disclosed |
| US-4108892-A | ANTICOAGULATNS, SMOOTH MUSCLE ACTIVITY MODIFIERS, ANTISECRETORY | MILES LABORATORIES, INC. (US) | 1978-08-22 | — | — | US | disclosed |
| US-4074063-A | ANTISECRETORY AGENTS, ANTICOAGULANTS, HYPOTENSIVE AGENTS | MILES LABORATORIES, INC. (US) | 1978-02-14 | — | — | US | disclosed |